methyl 1-acetylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopropane]-6-carboxylate

C13H14N2O3 — CID 118659752

IUPACmethyl 1-acetylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopropane]-6-carboxylate
SMILESCOC(=O)c1cnc2c(c1)N(C(C)=O)CC21CC1
InChIInChI=1S/C13H14N2O3/c1-8(16)15-7-13(3-4-13)11-10(15)5-9(6-14-11)12(17)18-2/h5-6H,3-4,7H2,1-2H3
InChIKeyMAYDXDKULKTJIU-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.27
Rot. Bonds1

About methyl 1-acetylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopropane]-6-carboxylate

methyl 1-acetylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopropane]-6-carboxylate (PubChem CID 118659752) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl 1-acetylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopropane]-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-acetylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopropane]-6-carboxylate
PubChem CID118659752
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Namemethyl 1-acetylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopropane]-6-carboxylate
SMILESCOC(=O)c1cnc2c(c1)N(C(C)=O)CC21CC1
InChIInChI=1S/C13H14N2O3/c1-8(16)15-7-13(3-4-13)11-10(15)5-9(6-14-11)12(17)18-2/h5-6H,3-4,7H2,1-2H3
InChIKeyMAYDXDKULKTJIU-UHFFFAOYSA-N
XLogP1.27
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-acetylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopropane]-6-carboxylate with MolForge

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Related Compounds

methyl 5-amino-6-(1-methoxycarbonylcyclopropyl)oxypyridine-3-carboxylate
CID 167003451
methyl 5-fluoro-6-isocyanopyridine-3-carboxylate
CID 171417527
methyl 1-iodopyrrolo[2,3-b]pyridine-5-carboxylate
CID 141347109
dimethyl 8-methylquinoline-3,6-dicarboxylate
CID 164676656
methyl 5-bromo-6-(hydroxymethyl)pyridine-3-carboxylate
CID 134206230
methyl 2-(2,2-difluorocyclopropyl)pyrimidine-5-carboxylate
CID 178137593
methyl 5-bromo-6-hydrazinylpyridine-3-carboxylate
CID 58208024
dimethyl pyridine-3,5-dicarboxylate;hydrochloride
CID 67354449
methyl 8-(6-azaspiro[2.5]octan-6-yl)-6-(difluoromethoxy)quinoline-3-carboxylate
CID 166552523
methyl 6-acetamido-5-aminopyridine-3-carboxylate
CID 71100128
methyl 6-(1-hydroxycyclopropyl)pyridine-3-carboxylate
CID 131192690
methyl 6-bromo-8-fluoroquinoline-3-carboxylate
CID 138106125

Frequently Asked Questions

What is the IUPAC name of methyl 1-acetylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopropane]-6-carboxylate?
The IUPAC name of methyl 1-acetylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopropane]-6-carboxylate (CID 118659752) is methyl 1-acetylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopropane]-6-carboxylate.
What is the SMILES notation for methyl 1-acetylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopropane]-6-carboxylate?
The canonical SMILES for methyl 1-acetylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopropane]-6-carboxylate is COC(=O)c1cnc2c(c1)N(C(C)=O)CC21CC1.
What is the InChIKey of methyl 1-acetylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopropane]-6-carboxylate?
The InChIKey is MAYDXDKULKTJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8(16)15-7-13(3-4-13)11-10(15)5-9(6-14-11)12(17)18-2/h5-6H,3-4,7H2,1-2H3.
What are the key properties of methyl 1-acetylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopropane]-6-carboxylate?
methyl 1-acetylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopropane]-6-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-acetylspiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopropane]-6-carboxylate is sourced from PubChem (CID 118659752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).